#METABOLOMICS WORKBENCH juliehaines_20241126_073648 DATATRACK_ID:5405 STUDY_ID:ST003610 ANALYSIS_ID:AN005934 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 2, 2024, 3:15 pm
#PROJECT
PR:PROJECT_TITLE                 	Macrophages recycle phagocytosed bacteria to fuel immunometabolic responses
PR:PROJECT_SUMMARY               	Macrophages specialize in phagocytosis, a cellular process that eliminates
PR:PROJECT_SUMMARY               	extracellular matter, including microbes, through internalization and
PR:PROJECT_SUMMARY               	degradation. Despite the critical role of phagocytosis during bacterial
PR:PROJECT_SUMMARY               	infection, the fate of phagocytosed microbial cargo and its impact on host cell
PR:PROJECT_SUMMARY               	is poorly understood. Here, we reveal that ingested bacteria constitute an
PR:PROJECT_SUMMARY               	alternative nutrient source that skews immunometabolic host responses. Tracing
PR:PROJECT_SUMMARY               	stable isotope-labelled bacteria, we found that phagolysosomal degradation of
PR:PROJECT_SUMMARY               	bacteria provides carbon atoms and amino acids that are recycled into various
PR:PROJECT_SUMMARY               	metabolic pathways, including glutathione and itaconate biosynthesis, and
PR:PROJECT_SUMMARY               	satisfy macrophage bioenergetic needs. Metabolic recycling of
PR:PROJECT_SUMMARY               	microbially-derived nutrients is regulated by the nutrient sensing mTORC1 and
PR:PROJECT_SUMMARY               	intricately tied to microbial viability. Dead bacteria, as opposed to live ones,
PR:PROJECT_SUMMARY               	are enriched in cyclic- adenosine monophosphate (AMP), sustain the cellular AMP
PR:PROJECT_SUMMARY               	pool and subsequently activate AMP protein kinase (AMPK) to inhibit mTORC1.
PR:PROJECT_SUMMARY               	Consequently, killed bacteria strongly fuel metabolic recycling and support
PR:PROJECT_SUMMARY               	macrophage survival, but elicit decreased reactive oxygen species (ROS)
PR:PROJECT_SUMMARY               	production and a reduced IL-1β secretion compared to viable bacteria. These
PR:PROJECT_SUMMARY               	results reveal a novel insight into the fate of engulfed microbes and highlights
PR:PROJECT_SUMMARY               	a microbial viability-associated metabolite that triggers host metabolic and
PR:PROJECT_SUMMARY               	immune responses. Our findings hold promise for shaping immunometabolic
PR:PROJECT_SUMMARY               	intervention in various immune-related pathologies.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Johan Garaude (INSERM,
PR:LABORATORY                    	Fr)
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	13C-tracing metabolomics of peritoneal macrophages 1hour and 2hours after
ST:STUDY_TITLE                   	engulfment of 13C-labeled heat-killed E coli
ST:STUDY_SUMMARY                 	13C-tracing analysis at 1h and 2h of peritoneal macrophages isolated from
ST:STUDY_SUMMARY                 	C57BL6/N mice injected with uniformly 13C-labelled and DAPI labeled heat-killed
ST:STUDY_SUMMARY                 	E. coli.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:GENDER                        	Not applicable
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-1_r19-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-1_r19-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-2_r10-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-2_r10-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-3_r17-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-3_r17-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-4_r15-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-4_r15-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-5_r9-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-5_r9-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-6_r3-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-6_r3-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-7_r16-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-7_r16-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-8_r5-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-8_r5-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-9_r13-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-9_r13-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-10_r6-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-10_r6-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-11_r2-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-11_r2-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-12_r18-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-12_r18-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-13_r7-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-13_r7-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-14_r8-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-14_r8-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-15_r12-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-15_r12-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-16_r14-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-16_r14-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-17_r4-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-17_r4-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-18_r11-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-18_r11-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-19_r1-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-19_r1-
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells from the peritoneal cavity were harvested with cold PBS. Phagocytic cells
CO:COLLECTION_SUMMARY            	(DAPI+ cells) were sorted by flow cytometry, frozen as dry cell pellet, and
CO:COLLECTION_SUMMARY            	stored at -80˚C until processing.
CO:SAMPLE_TYPE                   	Macrophages
#TREATMENT
TR:TREATMENT_SUMMARY             	Preparation of macrophages: Mice were injected or not with 0.5 ml of
TR:TREATMENT_SUMMARY             	thioglycolate medium to increase peritoneal macrophage abundance. Four days
TR:TREATMENT_SUMMARY             	later, mice were injected with 1E9 killed U-[13C]Bacteria previously labeled
TR:TREATMENT_SUMMARY             	with DAPI. One or two hours later, peritoneal cells were harvested, and sorted
TR:TREATMENT_SUMMARY             	by flow cytometry based on DAPI. Preparation of viable and killed
TR:TREATMENT_SUMMARY             	U-[13C]Bacteria: ThyA- E. coli were grown overnight with shaking in LB
TR:TREATMENT_SUMMARY             	supplemented with thymidine (500 ug/ml) and trimethoprim (50 ug/ml), diluted
TR:TREATMENT_SUMMARY             	1/40, and grown until log-phase [optical density at 600 nm (OD600) of 0.8-1.2].
TR:TREATMENT_SUMMARY             	Bacteria were washed with phosphate buffer saline (PBS) to remove LB salts
TR:TREATMENT_SUMMARY             	before addition to cells. For labeling of bacteria, 10 ul of an overnight
TR:TREATMENT_SUMMARY             	cultured of thyA- E. coli was added to 20 ml of a filtered M9 minimal medium
TR:TREATMENT_SUMMARY             	salts (Life Technologies) supplemented with 1 mM thiamine, 1 mM MgSO4, 0.1 M
TR:TREATMENT_SUMMARY             	CaCl2, 500 ug/ml thymidine, 50 ug/ml trimethoprim, and 0.5% U-[13C] glucose
TR:TREATMENT_SUMMARY             	(Campro Scientific). Bacteria were grown for 72h, washed with PBS and subjected
TR:TREATMENT_SUMMARY             	to heat-killing by re-suspension in PBS and subsequently incubation at 60˚C for
TR:TREATMENT_SUMMARY             	60-90 min. Bacteria were kept at 4˚C until use. Efficient killing was confirmed
TR:TREATMENT_SUMMARY             	by overnight plating on LB-agar plates. For DAPI labelling, killed bacteria were
TR:TREATMENT_SUMMARY             	incubated with 0.2 ug/ml of DAPI in PBS for 5min and washed 3 times with cold
TR:TREATMENT_SUMMARY             	PBS.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 4e6 cells per mL using ice
SP:SAMPLEPREP_SUMMARY            	cold 5:3:2 methanol:acetonitrile:water (v/v/v) with vigorous vortexing at 4
SP:SAMPLEPREP_SUMMARY            	degrees C followed by centrifugation as described for 10 min at 18,000 g.
SP:SAMPLEPREP_SUMMARY            	Supernatants were maintained at 4°C until analysis that same day.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B, 2.75-3 min
CH:FLOW_GRADIENT                 	95-5% B, 3-5 min hold at 5% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	We use a Thermo Orbitrap Exploris 120. Resolution 120,000, scan range 65-975
MS:MS_COMMENTS                   	m/z, maximum injection time 100 ms, microscans 1, automatic gain control (AGC)
MS:MS_COMMENTS                   	detection duration 20 msec, source voltage 3.5 kV, capillary temperature 320 C,
MS:MS_COMMENTS                   	vaporizer temp 200 C, and sheath gas 50, auxiliary gas 10, and sweep gas 1 (all
MS:MS_COMMENTS                   	nitrogen). Data converted to mzXML using RawConverter. Metabolites were
MS:MS_COMMENTS                   	annotated and integrated using Maven in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	AA83PM-1_r19-	AA83PM-2_r10-	AA83PM-3_r17-	AA83PM-4_r15-	AA83PM-5_r9-	AA83PM-6_r3-	AA83PM-7_r16-	AA83PM-8_r5-	AA83PM-9_r13-	AA83PM-10_r6-	AA83PM-11_r2-	AA83PM-12_r18-	AA83PM-13_r7-	AA83PM-14_r8-	AA83PM-15_r12-	AA83PM-16_r14-	AA83PM-17_r4-	AA83PM-18_r11-	AA83PM-19_r1-
Factors	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells
Arginine	2004916.38	3708315.25	2534091.25	1793103.5	3043012	1097618.25	700492.81	744199	1201608.88	4224471.5	5195096.5	4143589.75	3546892.75	3575247	3165262.75	1843420	1198579.38	2610918	1526788.38
Arginine 13C1	680.57892	0	0	0	0	1179.2855	0	0	0	0	0	0	0	3186.588	0	0	0	0	0
Arginine 13C2	0	2385.378771	0	0	0	941.214903	8653.80332	575.399156	0	0	2209.219646	6834.583049	0	0	0	0	0	0	0
Arginine 13C3	0	0	0	0	0	2884.27	0	0	0	0	6752.87	4518.86	4093.39	0	1695.63	0	0	0	0
Arginine 13C4	0	6462.05	0	0	0	0	0	0	0	14997.85	23624.06	34671.08	14641.84	7266.78	0	0	0	1902.08	0
Arginine 13C5	167888.33	248388.98	151414.27	69192.99	182786.64	0	0	5125.04	7424.59	51221.37	86599.84	80170.98	43358.99	57181.5	44095.94	3406.42	7488.79	3151.25	2841.69
Arginine 13C6	37971.5	25656.83	0	10176.61	59851.06	0	0	4338.32	0	136738.58	262318.53	248414.58	165070.75	147381.12	8788.3	9461.12	19865.08	8933.17	14457.02
Cysteine	958682	1875731.5	1956012.5	951312.56	1646443.62	0	0	4530.57	15411.97	1480398.12	1381871	1361953.25	956609.81	800910.31	1320729.88	458879.12	522310.03	315993.09	390799
Cysteine 13C1	19447.28	45369.68	50307.74	24647.67	42950.2	0	0	0	0	41498.45	38097.55	47502.64	27464.86	21332.67	36829.49	13764.18	13581.63	5017.07	13866.53
Glutamate	2772581.75	4890240.5	7132954.5	3199696.75	4547700	340326.62	256446.92	280798.59	513448.53	3158277.25	2883424	2743184.75	2183009	2287379.25	5783524	3207307.75	3265406.25	2301594.25	3212858.25
Glutamate 13C1	201405.6638	190383.8925	0	0	132839.22	0	0	0	0	62432.00125	206191.43	185826.9988	167987.095	116314.0913	39842.3	51706.18375	66344.60625	28544.75625	79794.71625
Glutamate 13C2	87948.16021	95792.90249	21607.59264	11701.96733	77237.0575	0	0	1980.184265	2240.638197	81757.66132	238273.7824	187679.3661	200801.6678	125303.5678	31960.3799	43326.85406	78240.04609	39606.98739	66499.65379
Glutamate 13C3	117297.79	112675.75	4712.88	7271.54	125893.46	0	1952.79	2701.6	0	150765.42	544977.81	339686.72	421367.5	334994.47	5988.69	23466.29	57331.33	20424.62	32084.62
Glutamate 13C4	159371.27	316309.72	260699.17	94916.77	186769.88	0	0	0	0	112164.37	142964.33	110832.94	85937.07	96370.62	74985.69	14916.73	18198.84	11504.82	15774.17
Glutamate 13C5	45396.44	75478.08	0	3536.11	53605.15	0	0	0	0	212245.3	611699.56	392990.91	626669.25	521432.41	14243.95	26586.91	54338.75	17140.06	31332.73
Glutamine	858500	1568696.62	1856303.12	1018429	1431801.62	31542.08	35240.76	35572.19	80065.46	3184359.25	3259919	3429034	2604102.75	2709811	2677590.75	1307775.38	1421825.38	1682367.38	1460185
Glutamine 13C1	0	0	0	0	0	0	517.6682	0	0	0	0	7304.15	4456.81875	0	0	0	0	0	0
Glutamine 13C2	1229.0175	0	0	1522.582275	0	1928.325208	0	1911.664125	871.3719835	10951.12327	15013.90503	19635.36215	12625.98918	10631.90173	4069.087981	1576.479476	4840.908226	0	0
Glutamine 13C3	4464.84	18790.69	0	0	0	0	0	0	0	25208.5	42574.04	50144.08	54814.89	40618.66	0	0	0	0	1980.8
Glutamine 13C4	0	0	0	0	3482.46	0	0	1567.65	0	16843.97	30318.57	25470.06	22686.34	25087.63	0	0	0	0	0
Glutamine 13C5	43097.84	107344.16	63133.19	56287.64	75425.34	0	0	0	7164.18	147635.02	346046.22	356439.38	372703.03	315693.81	33338.92	17973.76	40137.45	3971.72	18558.37
Methionine	4229174.5	8683290	8887882	3201892	5927589.5	81978.26	54730.19	178533.98	317381.22	2488770.5	2480157.25	2119194.25	1602805	1499039.38	2694905.25	831078.5	786391.94	647710.44	817662.5
Methionine 13C1	0	0	0	0	30874.1075	0	41.35955	736.0311	0	0	0	0	4700.425	0	0	0	0	2267.8158	0
Methionine 13C4	16363.47	5862.84	0	0	8712.44	0	1556.4	0	0	17116.43	23699.71	25748.49	28993.34	14983.79	0	0	4863.26	4105.39	0
Methionine 13C5	63225.25	77924.09	0	11455.56	76353.3	0	0	0	0	117078.9	152168.12	197744.5	173935.83	107034.38	5253.5	13107	31756.65	6904.24	15547.11
Adenosine	384789.16	450800.47	413125.97	417695.59	332651.41	147037.38	83951.73	122875.43	84601.55	134478.95	81120.77	165695.19	135486.3	139808.47	175355.31	144400.19	84765.12	152104.42	157829.56
Adenosine 13C1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7681.1291	0	0	0
Cystathionine	43726	87540.4	36233.2	42005.97	41710.35	0	0	0	11149.14	22375.83	14849.12	17332.05	8027.55	13275.08	38323.66	13578.62	25729.9	23451.85	22591.77
S-Adenosyl-L-methionine	15795.9	68691.83	78382.75	30399.08	37032.07	5456.17	21557.44	5645.03	5120.07	34408.07	33403.74	41397.37	21412.33	39056.22	40635.02	19912.72	29558.99	19116.82	19818.02
Ornithine	1556729.62	3554205.25	3833636.25	1540961.88	1611492.88	61845.7	48191.74	54650.88	53939.07	2545209.75	2094394.88	2591712.25	1876792.12	1519936.62	995583.81	324655.72	631071.44	411298.41	435616.72
Ornithine 13C1	0	0	0	0	0	303.5465	0	0	0	0	0	0	0	0	0	0	0	0	435.6104
Ornithine 13C2	0	0	0	1852.410313	0	0	0	0	0	0	3388.395488	15037.24044	9300.563837	8579.391725	0	1796.676447	0	1565.44231	296.739422
Ornithine 13C3	36493.72	25856.87	0	6800.73	22544.62	0	0	0	4712.07	84346.15	209980.08	216120.5	207603.92	117598.3	2490.46	3435.46	14114.13	3214.56	2544.85
Ornithine 13C4	7304.5	8043.04	0	0	0	0	0	0	0	24740.8	50625.59	54286.79	54459.14	36560.46	0	0	2574.38	0	2318.71
Ornithine 13C5	93080.51	112897.27	0	6605.22	84980.79	0	0	0	0	337708.81	631332.69	621362	699333.44	453153.16	4316.9	8348.3	38697.95	11463.02	24897.83
Putrescine	141001.86	152300.83	48475.5	25057.94	57351.4	12124.06	4631.42	2809.27	8160.6	33910.29	13268.94	11030.57	4271.87	9462.22	14200.11	9165.12	0	30792.63	2331.81
Spermidine	271402.59	338069.84	319612.25	181128.83	178589.69	127953.27	90843.94	71750.98	72583.62	79480.34	24096.62	35010.28	21841.37	15104.24	39049.14	20142.76	34735.98	35647.61	9666.98
Spermine	35177.02	68118.05	68926.96	33562.51	55149.96	25717.3	16326.04	16473.59	7737.56	14758.73	3343.82	3913.14	4519.96	2234.38	11106.49	3044.7	55273.93	5432.84	2455.22
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	mz	rt
Arginine	C00062	175.119049	0.585
Arginine 13C1	C00062	176.122208	0.585
Arginine 13C2	C00062	177.125107	0.604
Arginine 13C3	C00062	178.129425	0.596
Arginine 13C4	C00062	179.131958	0.59
Arginine 13C5	C00062	180.136322	0.648
Arginine 13C6	C00062	181.139053	0.59
Cysteine	C00097	122.027214	0.627
Cysteine 13C1	C00097	123.030487	0.627
Glutamate	C00025	148.060516	0.612
Glutamate 13C1	C00025	149.063889	0.614
Glutamate 13C2	C00025	150.066528	0.62
Glutamate 13C3	C00025	151.071213	0.611
Glutamate 13C4	C00025	152.074844	0.65
Glutamate 13C5	C00025	153.077194	0.618
Glutamine	C00064	147.076492	0.606
Glutamine 13C1	C00064	148.079681	0.611
Glutamine 13C2	C00064	149.081467	0.615
Glutamine 13C3	C00064	150.087128	0.605
Glutamine 13C4	C00064	151.089539	0.641
Glutamine 13C5	C00064	152.092697	0.579
Methionine	C00073	150.058441	0.687
Methionine 13C1	C00073	151.061615	0.702
Methionine 13C4	C00073	154.071518	0.712
Methionine 13C5	C00073	155.075394	0.701
Adenosine	C00121	268.104218	0.674
Adenosine 13C1	C00121	269.107666	0.683
Cystathionine	C00542	223.074661	0.647
S-Adenosyl-L-methionine	C00019	399.144531	0.599
Ornithine	C00077	133.097214	0.571
Ornithine 13C1	C00077	134.100662	0.572
Ornithine 13C2	C00077	135.102081	0.618
Ornithine 13C3	C00077	136.106491	0.571
Ornithine 13C4	C00077	137.11055	0.568
Ornithine 13C5	C00077	138.113785	0.577
Putrescine	C00134	89.107475	0.56
Spermidine	C00315	146.165146	0.554
Spermine	C00750	203.222992	0.56
METABOLITES_END
#END